Geometry & MOs

Info

ID:	125804
PubChem CID:	50939224
Reduced:	FON5H14C18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	345.06401
ΔH_f, kcal/mol:	28.16
Dipole, Da:	5.85
IP(EA), eV:	-9.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;2-(3-chloro-4-fluorophenyl)-1-(diaminomethylidene)guanidine

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)N3C(=C(C=N3)C(=O)C4=CC=C(C=C4)F)N

DOS

IR

Vibrations